CID 19910813

2413884-99-6

Structural Information

Molecular Formula
C7H16N2
SMILES
C1CC(CCC(C1)N)N
InChI
InChI=1S/C7H16N2/c8-6-2-1-3-7(9)5-4-6/h6-7H,1-5,8-9H2
InChIKey
LTYYPHXVTIFFLQ-UHFFFAOYSA-N
Compound name
cycloheptane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

128.13135 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.138626 124.7
[M+Na]+ 151.120568 127.1
[M-H]- 127.124074 127.8
[M+NH4]+ 146.165173 144.1
[M+K]+ 167.094508 130.5
[M+H-H2O]+ 111.128610 119.2
[M+HCOO]- 173.129551 145.4
[M+CH3COO]- 187.145201 178.0
[M+Na-2H]- 149.106016 128.5
[M]+ 128.13080142 113.7
[M]- 128.13189858 113.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe